[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C25H18BrNO3 MolecularWeight: 460.31932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C25H18BrNO3/c1-16-7-12-22-20(13-16)21(14-23(27-22)17-5-3-2-4-6-17)25(29)30-15-24(28)18-8-10-19(26)11-9-18/h2-14H,15H2,1H3